input word = C00026616

Metabolite InformationStructural formula
Name Aspochalamin D
Formula C44H55N5O4
Mw 717.42540528
CAS RN 847849-18-7
C_ID C00026616 ,
InChIKey VRPKRPKUBSSSQP-ABGZTXPSNA-N
InChICode InChI=1S/C44H55N5O4/c1-7-27(3)40-39-29(5)28(4)23-32-22-26(2)14-8-9-15-33(24-38(50)44(32,39)43(53)49-40)48-37-19-13-11-17-35(37)42(52)47-30(6)41(51)45-21-20-31-25-46-36-18-12-10-16-34(31)36/h10-13,16-23,25,27,29-30,32-33,39-40,46,48H,7-9,14-15,24H2,1-6H3,(H,45,51)(H,47,52)(H,49,53)/b21-20+,26-22+/t27-,29-,30+,32+,33+,39+,40+,44-/m1/s1
SMILES [C@@H]1([C@@H]2[C@]3([C@H](C=C1C)/C=C(/CCCC[C@@H](CC3=O)Nc1ccccc1C(=O)N[C@H](C(=O)N/C=C/c1c3c([nH]c1)cccc3)C)\C)C(=O)N[C@H]2[C@H](C)CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niveus Ref.
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